N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide

C24H28N4O2S — CID 110243763

About N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide

N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 110243763) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
• PubChem CID: 110243763
• Molecular Formula: C24H28N4O2S
• Molecular Weight: 436.58 g/mol
• Exact Mass: 436.19
• IUPAC Name: N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
• SMILES: COc1ccc(C)cc1CN1CCCC(C(NC(=O)c2ccccn2)c2nccs2)C1
• InChI: InChI=1S/C24H28N4O2S/c1-17-8-9-21(30-2)19(14-17)16-28-12-5-6-18(15-28)22(24-26-11-13-31-24)27-23(29)20-7-3-4-10-25-20/h3-4,7-11,13-14,18,22H,5-6,12,15-16H2,1-2H3,(H,27,29)
• InChIKey: UIALLSRHFRDELP-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.58
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?

The IUPAC name of N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide (CID 110243763) is N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?

The canonical SMILES for N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide is COc1ccc(C)cc1CN1CCCC(C(NC(=O)c2ccccn2)c2nccs2)C1.

What is the InChIKey of N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?

The InChIKey is UIALLSRHFRDELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-17-8-9-21(30-2)19(14-17)16-28-12-5-6-18(15-28)22(24-26-11-13-31-24)27-23(29)20-7-3-4-10-25-20/h3-4,7-11,13-14,18,22H,5-6,12,15-16H2,1-2H3,(H,27,29).

What are the key properties of N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?

N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 110243763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).